ethyl 2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoate

Systemtic Name: ethyl 2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoate Openeye Name: ethyl 2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoate CAS Name: 2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-2-methylpropanoate Traditional Name: 2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-2-methyl-propionic acid ethyl ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)(C)C(=O)OCC)COC2=CC=CC(=C2)C

Isomeric SMILES

CCN1C(=NN=C1SC(C)(C)C(=O)OCC)COC2=CC=CC(=C2)C

InChI

InChI=1S/C18H25N3O3S/c1-6-21-15(12-24-14-10-8-9-13(3)11-14)19-20-17(21)25-18(4,5)16(22)23-7-2/h8-11H,6-7,12H2,1-5H3